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Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach.

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Title: Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach.
Authors: Das RP; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India., Behera SK; Department of Biotechnology, National institute of Pharmaceutical Education and Research, Ahmedabad, Gandhinagar, Gujarat, India., Sahoo B; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India., Arakha M; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India., Pradhan AK; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2025 Nov; Vol. 43 (18), pp. 10838-10853. Date of Electronic Publication: 2024 Dec 28.
Publication Type: Journal Article
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach.
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  Data: <searchLink fieldCode="AU" term="%22Das+RP%22">Das RP</searchLink>; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India.<br /><searchLink fieldCode="AU" term="%22Behera+SK%22">Behera SK</searchLink>; Department of Biotechnology, National institute of Pharmaceutical Education and Research, Ahmedabad, Gandhinagar, Gujarat, India.<br /><searchLink fieldCode="AU" term="%22Sahoo+B%22">Sahoo B</searchLink>; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India.<br /><searchLink fieldCode="AU" term="%22Arakha+M%22">Arakha M</searchLink>; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India.<br /><searchLink fieldCode="AU" term="%22Pradhan+AK%22">Pradhan AK</searchLink>; Centre for Biotechnology, Siksha 'O' Anusandhan (Deemed to Be University), Bhubaneswar, Odisha, India.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Taylor+%26+Francis%22">Taylor & Francis </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>8404176 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1538-0254 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2207391102%22">07391102 </searchLink><i>NLM ISO Abbreviation: </i>J Biomol Struct Dyn <i>Subsets: </i>MEDLINE
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        Value: 10.1080/07391102.2024.2446677
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      – Code: eng
        Text: English
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        StartPage: 10838
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      – TitleFull: Comparative analysis of backbone atom cross-correlation matrices and folding dynamics of amyloid fibril and its complexes with novel biosurfactants isolated from Bacillus strain: a binding free energy calculation (mM-PBSA) and MD simulation approach.
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            NameFull: Das RP
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            NameFull: Behera SK
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            NameFull: Sahoo B
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            – D: 01
              M: 11
              Text: 2025 Nov
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              Value: 43
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              Value: 18
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